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Substance Name: 5-Hydroxyindole
RN: 1953-54-4
UNII: 320UN7XZYN
InChIKey: LMIQERWZRIFWNZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H7-N-O

Molecular Weight

  • 133.1493
 
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Names and Synonyms

Name of Substance

  • 5-Hydroxyindole

Synonyms

  • 5-21-03-00018 (Beilstein Handbook Reference)
  • 5-Hydroxy-1H-indole
  • 5-Hydroxyindole
  • BRN 0112349
  • CCRIS 4422
  • EINECS 217-782-6
  • Hydroxy-5 indole
  • Hydroxy-5 indole [French]
  • Hydroxy-5 indole [French]
  • NSC 87503
  • UNII-320UN7XZYN

Systematic Names

  • 1H-Indol-5-ol (9CI)
  • 5-Hydroxyindole
  • Indol-5-ol

Registry Numbers

CAS Registry Number

  • 1953-54-4

FDA UNII

  • 320UN7XZYN

System Generated Number

  • 0001953544

Structure Descriptors

InChI

1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H

InChIKey

LMIQERWZRIFWNZ-UHFFFAOYSA-N

Smiles

c12c(cc(O)cc2)cc[nH]1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 453, 1974.
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01920,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 107-108 deg C   EXP
log P (octanol-water) 1.11 (none)   EXP
Water Solubility 3.83E+04 mg/L 25 EST
Vapor Pressure 1.97E-04 mm Hg 25 EST
Henry's Law Constant 9.22E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.00E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.